Physicochemical Properties
Molecular Formula | C26H26O5 |
Molecular Weight | 418.48 |
Exact Mass | 418.178 |
CAS # | 55094-52-5 |
PubChem CID | 11004289 |
Appearance | White to off-white solid powder |
Density | 1.21±0.1 g/cm3 |
Boiling Point | 576.8±50.0 °C |
Melting Point | 54-55 °C |
LogP | 4.299 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 10 |
Heavy Atom Count | 31 |
Complexity | 520 |
Defined Atom Stereocenter Count | 3 |
SMILES | C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H](C(=O)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4 |
InChi Key | LDHBSABBBAUMCZ-UBFVSLLYSA-N |
InChi Code | InChI=1S/C26H26O5/c27-26-25(30-18-22-14-8-3-9-15-22)24(29-17-21-12-6-2-7-13-21)23(31-26)19-28-16-20-10-4-1-5-11-20/h1-15,23-25H,16-19H2/t23-,24-,25-/m1/s1 |
Chemical Name | (3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one |
HS Tariff Code | 2934.99.9001 |
Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
References |
[1]. Robak T, Robak P. Purine nucleoside analogs in the treatment of rarer chronic lymphoid leukemias. Curr Pharm Des. 2012;18(23):3373-88. |
Solubility Data
Solubility (In Vitro) | DMSO : 100 mg/mL (238.96 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.97 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 2.3896 mL | 11.9480 mL | 23.8960 mL | |
5 mM | 0.4779 mL | 2.3896 mL | 4.7792 mL | |
10 mM | 0.2390 mL | 1.1948 mL | 2.3896 mL |